SCHEMBL6674949

SCHEMBL6674949

CC(O)CNC(=O)c1ccc2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.56
TAS1R1 Q7RTX1 2/20 0.56
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
HDAC1 Q13547 4/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC3 O15379 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CTNNB1 P35222 2/20 0.48
WNT3A P56704 2/20 0.48
EPHX2 P34913 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9480345 0.90 TAS1R3 (0.60) TAS1R3TAS1R1PRMT5WDR77HDAC1
SCHEMBL8532136 0.82 HDAC1 (0.59) TAS1R3TAS1R1HDAC1HDAC2HDAC3
SCHEMBL5190804 0.82 TAS1R3 (0.50) TAS1R3TAS1R1PRMT5WDR77HDAC1
SCHEMBL9670430 0.82 HDAC1 (0.59) TAS1R3TAS1R1HDAC1HDAC2HDAC3
SCHEMBL13295906 0.80 HDAC1 (0.60) TAS1R3TAS1R1PRMT5WDR77HDAC1
SCHEMBL10272693 0.80 HDAC1 (0.63) TAS1R3TAS1R1HDAC1HDAC2HDAC3
SCHEMBL8514379 0.80 TAS1R3 (0.68) TAS1R3TAS1R1HDAC1HDAC2HDAC3
SCHEMBL25811300 0.79 HDAC1 (0.56) TAS1R3TAS1R1PRMT5WDR77HDAC1
SCHEMBL3734051 0.79 TAS1R3 (0.57) TAS1R3TAS1R1HDAC1HDAC2HDAC3
SCHEMBL28967630 0.79 HDAC1 (0.55) TAS1R3TAS1R1HDAC1HDAC2HDAC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478624-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2004-11-24 EP disclosed
WO-2003068743-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-08-21 WO disclosed